REMARK  Name = BDB018702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.918   0.600  -0.097  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -4.241  -0.719  -0.318  0.00  0.00    +0.151 C 
ATOM      3  C   LIG    1       -2.809  -0.521   0.204  0.00  0.00    +0.128 C 
ATOM      4  C   LIG    1       -2.196  -1.858   0.682  0.00  0.00    +0.242 C 
ATOM      5  O   LIG    1       -2.861  -2.810   1.087  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -0.819  -1.903   0.746  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1       -0.405  -2.730   1.154  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.017  -0.896   0.186  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.604   0.142  -0.552  0.00  0.00    +0.141 A 
ATOM     10  N   LIG    1        0.114   1.145  -1.080  0.00  0.00    -0.238 NA
ATOM     11  C   LIG    1        1.457   1.104  -0.891  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        2.143   0.107  -0.192  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.364  -0.919   0.356  0.00  0.00    +0.036 A 
ATOM     14  N   LIG    1       -1.968   0.132  -0.816  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -2.276   1.019  -1.202  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -3.046   0.417   1.391  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -4.135   1.367   0.906  0.00  0.00    +0.119 C 
ENDROOT
BRANCH  12  18
ATOM     18  C   LIG    1        3.605   0.136  -0.035  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        4.256   1.276   0.472  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        5.646   1.302   0.622  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        6.394   0.189   0.266  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        7.725   0.214   0.409  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.781  -0.950  -0.238  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.392  -0.976  -0.387  0.00  0.00    +0.011 A 
ENDBRANCH  12  18
BRANCH   1  26
ATOM     25  N   LIG    1       -7.281   1.095  -0.723  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1       -6.184   0.865  -0.437  0.00  0.00    +0.169 C 
ENDBRANCH   1  26
TORSDOF 2